(3-cyano-3,3-diphenyl-propyl)-methyl-di(propan-2-yl)azanium iodide

Systemtic Name: (3-cyano-3,3-diphenyl-propyl)-methyl-di(propan-2-yl)azanium iodide Openeye Name: (3-cyano-3,3-diphenyl-propyl)-diisopropyl-methyl-ammonium iodide CAS Name: (3-cyano-3,3-diphenylpropyl)-methyl-di(propan-2-yl)ammonium iodide IUPAC Name: (3-cyano-3,3-diphenylpropyl)-methyl-di(propan-2-yl)azanium iodide Traditional Name: (3-cyano-3,3-diphenyl-propyl)-diisopropyl-methyl-ammonium iodide Formula: C23H31IN2 MolecularWeight: 462.41011

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+](C)(CCC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2)C(C)C.[I-]

Isomeric SMILES

CC(C)[N+](C)(CCC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2)C(C)C.[I-]

InChI

InChI=1S/C23H31N2.HI/c1-19(2)25(5,20(3)4)17-16-23(18-24,21-12-8-6-9-13-21)22-14-10-7-11-15-22;/h6-15,19-20H,16-17H2,1-5H3;1H/q+1;/p-1